Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4062238
Preview
| Coordinates | 4062238.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H50 In N5 |
|---|---|
| Calculated formula | C39 H50 In N5 |
| SMILES | [In]1(Nc2[n]1c(c(c(N)c2c1ccccc1)c1ccccc1)Cc1ccccc1)(C)(C)[N](C)(C)CCN(C)C.c1(ccccc1)C |
| Title of publication | Trimerization of Phenylacetonitrile. InMe~3~ as a Base for C-H Acidic Nitriles |
| Authors of publication | Iravani, Effat; Neumüller, Bernhard |
| Journal of publication | Organometallics |
| Year of publication | 2003 |
| Journal volume | 22 |
| Journal issue | 20 |
| Pages of publication | 4129 - 4135 |
| a | 11.065 ± 0.001 Å |
| b | 12.786 ± 0.002 Å |
| c | 14.356 ± 0.002 Å |
| α | 65.98 ± 0.01° |
| β | 81.43 ± 0.01° |
| γ | 77.94 ± 0.01° |
| Cell volume | 1809.6 ± 0.4 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 192076 (current) | 2017-02-14 | cif/4/06/22/ (antanas@echidna.ibt.lt) Updating bibliography in entries 4062238, 4062239, 4062240, 4062241. |
4062238.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
4062238.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4062238.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4062238.cif |
| 19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
4062238.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4062238.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
4062238.cif |
| 1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
4062238.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.